pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.80999994277954	QSARToolbox	1	0	CCCCCCCCCCCC[NH+]1CCSCCSCCCSCCSCC1	CCCCCCCCCCCCN1CCSCCSCCCSCCSCC1	mol35210	CCCCCCCCCCCCN1CCSCCSCCCSCCSCC1